3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine

C17H16N2O3 — CID 3696985

IUPAC3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1OCc1ccccc1
InChIInChI=1S/C17H16N2O3/c1-20-16-9-13(14-10-17(18)22-19-14)7-8-15(16)21-11-12-5-3-2-4-6-12/h2-10H,11,18H2,1H3
InChIKeyQXQTWIIWNKYUIC-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.51
Rot. Bonds5

About 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine

3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 3696985) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
PubChem CID3696985
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1OCc1ccccc1
InChIInChI=1S/C17H16N2O3/c1-20-16-9-13(14-10-17(18)22-19-14)7-8-15(16)21-11-12-5-3-2-4-6-12/h2-10H,11,18H2,1H3
InChIKeyQXQTWIIWNKYUIC-UHFFFAOYSA-N
XLogP3.51
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3829147
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
3-(3-nitro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3806355
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-methoxy-4-phenylmethoxyaniline
CID 27226
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-amine
CID 3332846
3-(3,4-dimethoxyphenyl)-4-phenylmethoxyaniline
CID 169408827
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
CID 177357080
2,5-bis(3-methoxy-4-phenylmethoxyphenyl)-3,4-bis(2-methylpropyl)furan
CID 19049290

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine (CID 3696985) is 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is QXQTWIIWNKYUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-20-16-9-13(14-10-17(18)22-19-14)7-8-15(16)21-11-12-5-3-2-4-6-12/h2-10H,11,18H2,1H3.
What are the key properties of 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine?
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 296.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 3696985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).